==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 10-SEP-09 3JSD . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.WEISS,Z.L.WAN,E.J.DODSON,M.LIU,B.XU,Q.X.HUA,M.TURKENBURG . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G > 0 0 48 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 96.1 -1.1 19.7 -12.9 2 2 A I H >> + 0 0 3 47,-0.5 4,-4.3 2,-0.2 5,-0.7 0.867 360.0 55.6 -71.2 -34.9 0.7 17.3 -10.6 3 3 A V H >>S+ 0 0 25 46,-0.3 4,-1.8 2,-0.2 5,-1.8 0.949 111.7 42.1 -61.8 -48.7 -0.7 14.3 -12.5 4 4 A E H 45S+ 0 0 108 3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 122.2 44.4 -64.6 -34.6 0.7 15.6 -15.8 5 5 A Q H <5S+ 0 0 64 -4,-1.8 -2,-0.2 3,-0.1 -3,-0.2 0.906 128.2 19.4 -78.7 -45.1 3.9 16.5 -14.0 6 6 A a H <5S+ 0 0 0 -4,-4.3 22,-2.1 2,-0.1 5,-0.3 0.687 134.9 32.4-103.7 -21.5 4.6 13.4 -11.8 7 7 A b T <> - 0 0 41 -2,-0.5 4,-1.0 1,-0.1 3,-0.7 -0.410 44.4 -95.7 -81.6 160.5 12.4 14.2 -8.6 13 13 A L H 3> S+ 0 0 53 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.754 126.7 51.7 -45.8 -27.0 12.1 14.7 -4.8 14 14 A Y H 3> S+ 0 0 166 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.867 102.0 52.6 -83.5 -39.6 12.1 18.4 -5.6 15 15 A Q H <4 S+ 0 0 86 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.566 112.6 52.9 -71.7 -4.6 9.3 18.6 -8.1 16 16 A L H >< S+ 0 0 0 -4,-1.0 3,-0.7 2,-0.1 -1,-0.2 0.699 97.9 60.2-100.2 -26.8 7.4 16.8 -5.5 17 17 A E H >< S+ 0 0 60 -4,-0.7 3,-1.9 -3,-0.4 -2,-0.2 0.725 89.6 73.2 -74.2 -21.6 8.1 19.1 -2.6 18 18 A N T 3< S+ 0 0 119 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.829 92.5 56.0 -59.8 -32.2 6.4 22.0 -4.5 19 19 A Y T < S+ 0 0 31 -3,-0.7 28,-1.8 -4,-0.2 -1,-0.3 0.280 90.0 99.1 -85.4 10.7 3.1 20.3 -3.8 20 20 A c B < A 46 0A 8 -3,-1.9 26,-0.3 26,-0.2 18,-0.0 -0.299 360.0 360.0 -86.6 176.7 3.6 20.3 -0.1 21 21 A N 0 0 96 24,-1.7 -1,-0.2 80,-0.1 24,-0.2 -0.013 360.0 360.0 -94.5 360.0 2.2 23.0 2.3 22 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 1 B F 0 0 147 0, 0.0 -11,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.9 15.7 9.2 -5.5 24 2 B V - 0 0 76 1,-0.1 2,-0.5 2,-0.0 -11,-0.1 -0.249 360.0-161.5 -58.5 142.1 13.2 7.2 -7.5 25 3 B N + 0 0 114 -15,-0.1 2,-0.3 -13,-0.1 -13,-0.1 -0.873 48.5 96.1-126.6 89.8 13.0 7.9 -11.2 26 4 B Q S S- 0 0 113 -2,-0.5 2,-0.6 -15,-0.2 -15,-0.5 -0.945 82.3 -81.3-168.2 154.9 9.7 6.7 -12.5 27 5 B H - 0 0 100 -2,-0.3 2,-0.5 -17,-0.1 -20,-0.2 -0.516 45.1-153.7 -62.4 110.0 6.2 7.9 -13.3 28 6 B L - 0 0 14 -22,-2.1 2,-0.3 -2,-0.6 -19,-0.1 -0.810 19.2-174.2 -90.6 123.3 4.4 7.9 -9.9 29 7 B b >> - 0 0 48 -2,-0.5 3,-1.8 -22,-0.1 4,-0.9 -0.887 36.4 -43.0-127.9 156.9 0.6 7.5 -10.3 30 8 B X H 3> S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 0.078 126.3 14.3 31.3-123.3 -2.6 7.5 -8.1 31 9 B S H 3> S+ 0 0 51 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.808 132.4 50.1 -43.6 -37.9 -2.1 5.7 -4.8 32 10 B H H <> S+ 0 0 140 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.925 107.7 53.2 -71.4 -42.4 1.7 5.7 -5.1 33 11 B L H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.914 111.1 46.7 -57.5 -47.5 1.8 9.4 -5.9 34 12 B V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.948 111.0 49.5 -63.4 -50.6 -0.2 10.2 -2.8 35 13 B E H X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.860 111.7 52.3 -58.4 -32.5 1.9 8.0 -0.4 36 14 B A H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.955 107.5 48.6 -70.7 -46.0 5.0 9.6 -1.9 37 15 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.5 0.913 109.2 57.3 -56.7 -39.3 3.7 13.1 -1.2 38 16 B Y H X S+ 0 0 14 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.917 108.3 44.5 -57.2 -45.3 2.9 11.9 2.3 39 17 B L H < S+ 0 0 106 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.897 115.8 44.4 -69.4 -42.4 6.5 10.9 2.9 40 18 B V H < S+ 0 0 32 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.985 120.1 37.7 -67.3 -57.1 8.2 13.9 1.5 41 19 B c H >< S+ 0 0 4 -4,-2.0 3,-2.1 -5,-0.2 4,-0.3 0.800 81.0 155.5 -65.1 -31.2 6.1 16.6 3.0 42 20 B G T 3< S+ 0 0 32 -4,-1.5 -1,-0.2 -5,-0.5 3,-0.1 -0.137 73.4 13.0 43.8-107.3 5.7 14.7 6.3 43 21 B E T 3 S+ 0 0 159 1,-0.2 61,-0.3 -3,-0.2 -1,-0.3 0.865 125.0 60.5 -65.5 -40.9 4.9 17.4 8.9 44 22 B R S < S- 0 0 115 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.902 95.3-149.8 -56.7 -43.1 4.2 20.1 6.4 45 23 B G - 0 0 0 -4,-0.3 -24,-1.7 -7,-0.2 2,-0.3 -0.449 9.3-128.5 96.3-175.9 1.3 18.2 4.8 46 24 B F E -AB 20 101A 1 55,-1.7 55,-3.6 -26,-0.3 2,-0.4 -0.972 1.9-119.8-162.2 174.2 0.2 18.6 1.2 47 25 B F E - B 0 100A 51 -28,-1.8 2,-0.5 -2,-0.3 53,-0.3 -0.986 17.1-160.1-129.0 138.2 -2.6 19.1 -1.2 48 26 B Y E + B 0 99A 10 51,-3.7 51,-2.2 -2,-0.4 -2,-0.0 -0.957 19.4 160.3-122.2 116.0 -3.7 16.8 -3.9 49 27 B T - 0 0 34 -2,-0.5 2,-1.6 49,-0.2 -47,-0.5 -0.838 24.7-155.1-139.1 97.7 -5.8 18.0 -6.9 50 28 B P + 0 0 28 0, 0.0 48,-0.1 0, 0.0 -2,-0.0 -0.539 36.9 147.0 -74.4 82.5 -5.9 15.8 -10.0 51 29 B K 0 0 144 -2,-1.6 45,-0.0 0, 0.0 0, 0.0 0.606 360.0 360.0 -88.7 -13.7 -6.6 18.3 -12.8 52 30 B T 0 0 108 -3,-0.2 -50,-0.0 0, 0.0 0, 0.0 0.942 360.0 360.0 86.2 360.0 -4.4 15.9 -14.9 53 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 1 C G >> 0 0 40 0, 0.0 4,-2.2 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 177.9 -7.3 17.3 13.7 55 2 C I H 3> + 0 0 11 47,-0.3 4,-2.3 1,-0.3 5,-0.4 0.765 360.0 60.8 -56.6 -27.9 -8.2 14.4 11.4 56 3 C V H 3> S+ 0 0 6 47,-0.5 4,-1.8 46,-0.2 -1,-0.3 0.940 110.3 39.9 -65.9 -43.9 -5.2 12.6 12.8 57 4 C E H <4 S+ 0 0 97 -3,-0.6 4,-0.3 46,-0.3 -2,-0.2 0.812 118.5 48.7 -73.9 -28.8 -6.8 12.8 16.3 58 5 C Q H < S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.1 4,-0.2 0.742 125.2 23.8 -84.1 -23.8 -10.3 12.1 14.9 59 6 C d H < S+ 0 0 14 -4,-2.3 5,-0.4 -5,-0.2 -3,-0.2 0.572 114.7 59.0-119.0 -11.3 -9.5 9.1 12.8 60 7 C e S < S+ 0 0 36 -4,-1.8 -3,-0.1 -5,-0.4 3,-0.1 0.474 113.6 39.3 -96.7 -0.6 -6.3 7.5 14.2 61 8 C T S S+ 0 0 118 1,-0.4 2,-0.3 -4,-0.3 -3,-0.1 0.710 129.5 21.1-109.5 -42.0 -7.9 7.0 17.6 62 9 C S S S- 0 0 68 -5,-0.2 2,-0.7 -4,-0.2 -1,-0.4 -0.903 93.4 -98.3-125.5 155.3 -11.3 5.9 16.5 63 10 C I - 0 0 161 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.1 -0.637 35.1-153.2 -81.5 112.9 -12.3 4.5 13.1 64 11 C d - 0 0 16 -2,-0.7 2,-0.2 -5,-0.4 -5,-0.1 -0.360 13.7-130.1 -76.2 162.0 -13.8 7.1 10.8 65 12 C S > - 0 0 42 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.549 27.4-101.1-106.1 175.7 -16.3 6.0 8.1 66 13 C L H > S+ 0 0 109 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.857 126.9 51.6 -64.8 -32.1 -16.3 6.8 4.4 67 14 C Y H 4 S+ 0 0 181 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.840 110.4 47.0 -71.8 -36.0 -19.0 9.4 5.2 68 15 C Q H >4 S+ 0 0 70 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.872 110.2 53.3 -72.1 -37.9 -16.9 10.9 8.0 69 16 C L H >< S+ 0 0 9 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.773 95.4 70.6 -68.2 -24.0 -13.8 11.0 5.7 70 17 C E G >< S+ 0 0 90 -4,-1.0 3,-1.3 1,-0.2 -1,-0.2 0.726 83.8 68.8 -67.6 -21.3 -15.8 12.9 3.0 71 18 C N G < S+ 0 0 128 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.895 94.4 57.8 -64.5 -36.6 -15.9 16.0 5.2 72 19 C Y G < S+ 0 0 67 -3,-0.8 28,-0.7 -4,-0.5 -1,-0.3 0.431 90.0 96.3 -74.2 -0.5 -12.2 16.4 4.6 73 20 C f B < C 99 0A 15 -3,-1.3 26,-0.2 1,-0.1 27,-0.1 0.029 360.0 360.0 -77.0-168.2 -12.4 16.5 0.8 74 21 C N 0 0 103 24,-1.2 24,-0.2 20,-0.1 -1,-0.1 -0.129 360.0 360.0-119.4 360.0 -12.6 19.5 -1.5 75 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 1 D F 0 0 231 0, 0.0 2,-0.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 38.8 5.6 3.5 19.1 77 2 D V > + 0 0 100 1,-0.2 4,-1.2 2,-0.1 3,-0.1 -0.379 360.0 140.9 -89.6 51.9 5.3 5.6 16.0 78 3 D N H >> + 0 0 87 -2,-0.9 4,-2.2 1,-0.2 3,-1.2 0.979 61.9 56.9 -55.6 -62.6 1.6 4.6 15.6 79 4 D Q H 3> S+ 0 0 122 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.809 105.6 53.5 -42.7 -39.1 0.3 8.0 14.4 80 5 D H H 3> S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.882 108.9 47.1 -66.6 -40.3 2.8 8.0 11.5 81 6 D L H < S+ 0 0 4 -4,-2.7 3,-1.9 -5,-0.2 -3,-0.2 0.857 81.3 169.0 -77.3 -33.7 -12.4 12.3 -2.6 95 20 D G G >< - 0 0 15 -4,-1.5 3,-1.8 -5,-0.4 -1,-0.2 -0.294 69.9 -2.6 59.8-138.5 -11.6 11.1 -6.1 96 21 D E G 3 S+ 0 0 168 1,-0.3 -1,-0.3 -47,-0.1 -2,-0.1 0.538 126.6 70.9 -62.4 -8.8 -11.3 13.9 -8.6 97 22 D R G < S- 0 0 113 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.799 88.4-165.6 -79.3 -28.5 -12.4 16.4 -6.0 98 23 D G < - 0 0 0 -3,-1.8 -24,-1.2 -7,-0.2 2,-0.3 -0.089 2.4-132.9 72.5-175.0 -9.0 16.0 -4.3 99 24 D F E -BC 48 73A 0 -51,-2.2 -51,-3.7 -26,-0.2 2,-0.4 -0.983 7.9-115.7-167.9 173.0 -8.1 17.1 -0.8 100 25 D F E -B 47 0A 109 -28,-0.7 2,-0.6 -2,-0.3 -53,-0.3 -0.976 22.7-151.1-120.8 130.3 -5.6 18.9 1.5 101 26 D Y E +B 46 0A 10 -55,-3.6 -55,-1.7 -2,-0.4 -80,-0.1 -0.927 23.2 164.7-107.2 122.5 -3.8 16.9 4.2 102 27 D T - 0 0 69 -2,-0.6 -47,-0.3 -57,-0.2 -46,-0.2 -0.849 16.1-168.8-137.0 97.0 -2.9 19.0 7.2 103 28 D P S S+ 0 0 20 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 0.960 73.5 37.0 -49.9 -67.4 -1.9 16.8 10.3 104 29 D K 0 0 150 -61,-0.3 -49,-0.0 1,-0.1 0, 0.0 -0.677 360.0 360.0 -94.1 144.3 -1.8 19.5 13.0 105 30 D T 0 0 174 -2,-0.3 -1,-0.1 -51,-0.0 0, 0.0 0.923 360.0 360.0 -67.5 360.0 -4.3 22.5 13.1